methyl 3-[[(E)-(methoxycarbonylamino)methoxycarbonyliminomethyl]amino]-4-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-[[(E)-(methoxycarbonylamino)methoxycarbonyliminomethyl]amino]-4-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-[[(E)-(methoxycarbonylamino)methoxycarbonyliminomethyl]amino]-4-(3-pyridylmethyl)-1H-pyrrole-2-carboxylate CAS Name: 3-[[(E)-[(methoxycarbonylamino)methoxy-oxomethyl]iminomethyl]amino]-4-(3-pyridinylmethyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(E)-(methoxycarbonylamino)methoxycarbonyliminomethyl]amino]-4-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-[[(E)-(carbomethoxyamino)methoxycarbonyliminomethyl]amino]-4-(3-pyridylmethyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C17H19N5O6 MolecularWeight: 389.36266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CN=CC=C2)NC=NC(=O)OCNC(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CN=CC=C2)N/C=N/C(=O)OCNC(=O)OC

InChI

InChI=1S/C17H19N5O6/c1-26-15(23)14-13(12(8-19-14)6-11-4-3-5-18-7-11)20-9-21-17(25)28-10-22-16(24)27-2/h3-5,7-9,19H,6,10H2,1-2H3,(H,22,24)(H,20,21,25)